2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol

C49H35N3O — CID 164742712

IUPAC2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccn4)c3)cccc2n1-c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C49H35N3O/c53-47-22-11-10-19-44(47)49-51-48-43(20-12-21-46(48)52(49)42-25-23-35(24-26-42)29-34-13-4-1-5-14-34)40-30-39(37-17-8-3-9-18-37)31-41(32-40)45-33-38(27-28-50-45)36-15-6-2-7-16-36/h1-28,30-33,53H,29H2
InChIKeyVQZRLIKWYSBBQY-UHFFFAOYSA-N
MW681.84 g/mol
LogP12.05
Rot. Bonds8

About 2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol

2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol (PubChem CID 164742712) has the molecular formula C49H35N3O and a molecular weight of 681.84 g/mol. Its IUPAC name is 2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
PubChem CID164742712
Molecular FormulaC49H35N3O
Molecular Weight681.84 g/mol
Exact Mass681.28
IUPAC Name2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccn4)c3)cccc2n1-c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C49H35N3O/c53-47-22-11-10-19-44(47)49-51-48-43(20-12-21-46(48)52(49)42-25-23-35(24-26-42)29-34-13-4-1-5-14-34)40-30-39(37-17-8-3-9-18-37)31-41(32-40)45-33-38(27-28-50-45)36-15-6-2-7-16-36/h1-28,30-33,53H,29H2
InChIKeyVQZRLIKWYSBBQY-UHFFFAOYSA-N
XLogP12.05
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.84
LogP ≤ 512.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140864165
2-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864857
2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol
CID 164742366
2-[3-phenyl-7-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864017
2,4-dimethyl-6-[1-(3-methyl-5-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 163964316
2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-(3,4-dimethyl-5-phenylphenyl)benzimidazol-2-yl]phenol
CID 163682700
2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol
CID 162783149
2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 177094142
2-[4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]-1-(3-methyl-5-phenylphenyl)benzimidazol-2-yl]phenol
CID 163675217
2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 171424927
2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol
CID 162784129
2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 153481572

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol?
The IUPAC name of 2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol (CID 164742712) is 2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol is Oc1ccccc1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccn4)c3)cccc2n1-c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol?
The InChIKey is VQZRLIKWYSBBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3O/c53-47-22-11-10-19-44(47)49-51-48-43(20-12-21-46(48)52(49)42-25-23-35(24-26-42)29-34-13-4-1-5-14-34)40-30-39(37-17-8-3-9-18-37)31-41(32-40)45-33-38(27-28-50-45)36-15-6-2-7-16-36/h1-28,30-33,53H,29H2.
What are the key properties of 2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol?
2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol has a molecular weight of 681.84 g/mol, XLogP of 12.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 164742712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).